(1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methylphenyl]ethanol

C16H24FNO3 — CID 104969884

IUPAC(1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methylphenyl]ethanol
SMILESCc1cc(N2CC(CO)OC(C)(C)C2)c([C@H](C)O)cc1F
InChIInChI=1S/C16H24FNO3/c1-10-5-15(13(11(2)20)6-14(10)17)18-7-12(8-19)21-16(3,4)9-18/h5-6,11-12,19-20H,7-9H2,1-4H3/t11-,12?/m0/s1
InChIKeyHOBDGRLKLCCUCZ-PXYINDEMSA-N
MW297.37 g/mol
LogP2.16
Rot. Bonds3

About (1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methylphenyl]ethanol

(1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methylphenyl]ethanol (PubChem CID 104969884) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methylphenyl]ethanol
PubChem CID104969884
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name(1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methylphenyl]ethanol
SMILESCc1cc(N2CC(CO)OC(C)(C)C2)c([C@H](C)O)cc1F
InChIInChI=1S/C16H24FNO3/c1-10-5-15(13(11(2)20)6-14(10)17)18-7-12(8-19)21-16(3,4)9-18/h5-6,11-12,19-20H,7-9H2,1-4H3/t11-,12?/m0/s1
InChIKeyHOBDGRLKLCCUCZ-PXYINDEMSA-N
XLogP2.16
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol
CID 104969871
(1S)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol
CID 102744674
1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol
CID 114777393
1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-5-methylphenyl]-3-methylpyrrolidin-3-ol
CID 103356738
[4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777236
1-[1-[4-fluoro-2-[(1S)-1-hydroxyethyl]-5-methylphenyl]piperidin-4-yl]ethanol
CID 106836529
1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol
CID 106836488
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-methylbenzaldehyde
CID 114054264
[4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776297
1-[2-(3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol
CID 114411335
(1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
CID 102744273
[4-(4-bromo-5-fluoro-2-nitrophenyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779458

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methylphenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methylphenyl]ethanol (CID 104969884) is (1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methylphenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methylphenyl]ethanol is Cc1cc(N2CC(CO)OC(C)(C)C2)c([C@H](C)O)cc1F.
What is the InChIKey of (1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methylphenyl]ethanol?
The InChIKey is HOBDGRLKLCCUCZ-PXYINDEMSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-10-5-15(13(11(2)20)6-14(10)17)18-7-12(8-19)21-16(3,4)9-18/h5-6,11-12,19-20H,7-9H2,1-4H3/t11-,12?/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methylphenyl]ethanol?
(1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methylphenyl]ethanol has a molecular weight of 297.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methylphenyl]ethanol is sourced from PubChem (CID 104969884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).